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97920-58-6 | 2,5-Methanopentalene, octahydro-3a-iodo-
CAS No: 97920-58-6 Catalog No: AG006AM1 MDL No:
Product Description
Catalog Number:
AG006AM1
Chemical Name:
2,5-Methanopentalene, octahydro-3a-iodo-
CAS Number:
97920-58-6
Molecular Formula:
C9H13I
Molecular Weight:
248.1040
IUPAC Name:
3-iodotricyclo[3.3.1.03,7]nonane
InChI:
InChI=1S/C9H13I/c10-9-4-6-1-7(5-9)3-8(9)2-6/h6-8H,1-5H2
InChI Key:
PGEOOGJGQSIXKK-UHFFFAOYSA-N
SMILES:
IC12CC3CC2CC(C1)C3
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.107g/mol
Monoisotopic Mass:
248.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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